N-(3-methoxyphenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: N-(3-methoxyphenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide CAS Name: N-(3-methoxyphenyl)-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide Formula: C25H28N3O4S+ MolecularWeight: 466.57252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-32-23-11-6-10-22(18-23)26-25(29)21-9-5-12-24(17-21)33(30,31)28-15-13-27(14-16-28)19-20-7-3-2-4-8-20/h2-12,17-18H,13-16,19H2,1H3,(H,26,29)/p+1